6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane

C9H14F2NOP — CID 176943143

IUPAC6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane
SMILESCC.Cc1ccc(C(F)(F)P)[nH]c1=O
InChIInChI=1S/C7H8F2NOP.C2H6/c1-4-2-3-5(7(8,9)12)10-6(4)11;1-2/h2-3H,12H2,1H3,(H,10,11);1-2H3
InChIKeyNZCOJMVZZFKVRC-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.63
Rot. Bonds1

About 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane

6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane (PubChem CID 176943143) has the molecular formula C9H14F2NOP and a molecular weight of 221.19 g/mol. Its IUPAC name is 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane
PubChem CID176943143
Molecular FormulaC9H14F2NOP
Molecular Weight221.19 g/mol
Exact Mass221.08
IUPAC Name6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane
SMILESCC.Cc1ccc(C(F)(F)P)[nH]c1=O
InChIInChI=1S/C7H8F2NOP.C2H6/c1-4-2-3-5(7(8,9)12)10-6(4)11;1-2/h2-3H,12H2,1H3,(H,10,11);1-2H3
InChIKeyNZCOJMVZZFKVRC-UHFFFAOYSA-N
XLogP2.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670
3-Methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 59340901
3-Ethyl-6-(trifluoromethyl)pyridin-2-ol
CID 89003285
ethane;3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 143933050
5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane
CID 143933051
6-methyl-3-(trifluoromethyl)-1H-pyridin-1-ium-2-one
CID 163718252
ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 170734395
6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 175615026
6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane
CID 177016565
6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 177016566
ethane;3-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 178714673
ethane;6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 178714771

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane?
The IUPAC name of 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane (CID 176943143) is 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane.
What is the SMILES notation for 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane?
The canonical SMILES for 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane is CC.Cc1ccc(C(F)(F)P)[nH]c1=O.
What is the InChIKey of 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane?
The InChIKey is NZCOJMVZZFKVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2NOP.C2H6/c1-4-2-3-5(7(8,9)12)10-6(4)11;1-2/h2-3H,12H2,1H3,(H,10,11);1-2H3.
What are the key properties of 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane?
6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane has a molecular weight of 221.19 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro(phosphanyl)methyl]-3-methyl-1H-pyridin-2-one;ethane is sourced from PubChem (CID 176943143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).